Mcn 6186
Basic information
- CAS
119615-65-5- Standard SMILES
COc1cc(CCNC(C)Cc2cc(OC)ccc2C#Cc2ccccc2)cc(OC)c1.Cl- InChIKey
VAISMMIEXJKACM-UHFFFAOYSA-N- Molecular formula
- C28H32ClNO3
- Average molar mass
- 466 g/mol
- Monoisotopic mass
- 465.2070716
Overview
structure given in first source
Names & identifiers
- Preferred name
- Mcn 6186
- IUPAC
- N-[2-(3,5-dimethoxyphenyl)ethyl]-1-[5-methoxy-2-(2-phenylethynyl)phenyl]propan-2-amine;hydrochloride
Names & synonyms
Mcn 6186Mcn-6186119615-65-5RefChem:156100N-(2-(3,5-Dimethoxyphenyl)ethyl)-5-methoxy-alpha-methyl-2-(phenylethynyl)benzeneethanamineSCHEMBL30357966DTXSID30923056N-[2-(3,5-dimethoxyphenyl)ethyl]-1-[5-methoxy-2-(2-phenylethynyl)phenyl]propan-2-amine;hydrochlorideBenzeneethanamine, N-(2-(3,5-dimethoxyphenyl)ethyl)-5-methoxy-alpha-methyl-2-(phenylethynyl)-, hydrochlorideN-[2-(3,5-Dimethoxyphenyl)ethyl]-1-[5-methoxy-2-(phenylethynyl)phenyl]propan-2-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
119615-65-5- PubChem CID
- 196758
- DTXSID
DTXSID30923056
Properties
Computed structural properties
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 578
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…